Pierre Poulain

@pierrepo.bsky.social

Associate prof Univ Paris Cité & Laboratory of Theoretical Biochemistry #bioinformatics #python #unix #openscience Software Heritage ambassador #pedagogy

Alors oui, des annulations de recrutement j'en connais, mais aucune n'est liée à une publication des résultats. Au contraire, publier les résultats à l'avance c'est permettre de prévenir "attention votre classement là il est douteux" en avance.

I'm very happy to say that Sina Geissler's first thesis paper on modeling the interaction between mannose and the DC)SIGN and MRC1 receptors is now out in Biochemistry. Congratulations Sina !🎉 pubs.acs.org/doi/10.1021/...

A Comparative Investigation of the Mannose Binding Interface in DC-SIGN and MRC1 Carbohydrate Recognition Domains with All-Atom Molecular Dynamics Simulations

Protein-carbohydrate interactions play a key role in numerous biological processes, including immune response, and glycan-based ligands that can target specific protein receptors on a cell surface represent promising candidates for therapeutics applications. For example, in retinoblastoma, the DC-SIGN mannose receptor is overexpressed on the surface of pathogenic cells and represents an interesting target for mannose-based ligands. At the same time, these ligands should not bind to the MRC1 receptor, which is expressed by adjacent, healthy, retinal pigment epithelial cells and presents a carbohydrate recognition domain (CRD) similar to the one of DC-SIGN. Therefore, the challenge remains to obtain a detailed picture of the recognition process between carbohydrates and proteins, in order to design effective and selective therapeutic compounds. In this work we used classical, all-atom molecular dynamics (MD) simulations to investigate the interaction between several mannose based ligands and the CRDs from DC-SIGN and MRC1. The analysis of the protein-carbohydrate contacts from the resulting trajectories highlights the variability of the mannose binding modes on both CRDs, and shows how the increased affinity of mannose for the MRC1 CRD can be related to a specific mannose binding state that is not accessible in the DC-SIGN CRD.

pubs.acs.org

Un sénateur a demandé au PDG CNRS si le CNRS comptait développer un modèle IA comparable à Claude Mythos. Un élément de réponse serait-il que la dette d'OpenAI (oui je sais ce n'est pas Claude) est 25 fois le budget annuel du CNRS, qui doit couvrir tous les champs du savoir?

The team of JupyterCon 2023, PyData Paris 2024 & 2025 organizes a new conference named Compute! Paris 2026 on open source computation and data. The event will take place on November 25–26, 2026 at Sorbonne Université in Paris. CfP deadline: May 24, 2026: compute.events/paris2026/cf...

Call for Proposals — Compute! Paris 2026

Submit your talk proposal for Compute! Paris 2026. The Call for Proposals is open from April 15th to May 24th, 2026.

compute.events

EVoC is a library designed specifically for fast clustering of high dimensional embedding vectors. It can produce high quality clusters extremely efficiently, and requires little to no hyperparameter tuning. Better clustering than UMAP + HDBSCAN; faster clustering than KMeans.